%chk=000085008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085008

1 1
 S    4.585800      0.4008000      0.4742000    
 O    5.959100      8.3700001E-02 -0.3468000    
 O    4.519300     -0.4771000       1.628700    
 O    4.444000       1.839700      0.6064000    
 N  -0.3062000     -0.6579000     -0.7323000    
 C    1.046000     -0.6566000      -1.284600    
 C    2.024500     -0.1795000     -0.2193000    
 C    3.449400     -0.1729000     -0.7477000    
 C   -1.050100      0.4498000     -0.8487000    
 C   -2.346800      0.4864000     -0.3325000    
 C   -2.848100     -0.6667000      0.3098000    
 C  -0.7531000      -1.765500     -0.1295000    
 C   -2.032300      -1.800800      0.4069000    
 C   -3.153500       1.630300     -0.4359000    
 C   -4.150600     -0.6457000      0.8349000    
 C   -4.445000       1.633800      9.1200002E-02
 C   -4.942500      0.4981000      0.7252000    
 H    1.284200      -1.671100      -1.625300    
 H    1.062500     -6.6000000E-03  -2.167400    
 H    1.747300      0.8268000      0.1180000    
 H    1.955500     -0.8251000      0.6648000    
 H    3.544500      0.4800000      -1.621100    
 H    3.752600      -1.187200      -1.027400    
 H  -0.5951000       1.296700      -1.350600    
 H  -8.2099997E-02  -2.614600     -7.6099999E-02
 H   -2.383000      -2.705800      0.8952000    
 H   -2.782700       2.527100     -0.9274000    
 H   -4.559600      -1.521500       1.334500    
 H   -5.062700       2.523100      7.0000002E-03
 H   -5.948300      0.5022000       1.135300    
 H    6.190000     -0.8709000     -0.4351000    


%chk=000085008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085008

1 1
S 4.633392 0.272348 0.542568
O 5.942610 0.634702 -0.705766
O 5.127496 -0.846886 1.596293
O 3.935932 1.634483 1.069073
N -0.376916 -0.770251 -0.812414
C 1.027207 -0.841050 -1.344484
C 2.047021 -0.466568 -0.242463
C 3.476926 -0.509714 -0.791372
C -1.072602 0.397505 -0.881728
C -2.374969 0.517684 -0.336942
C -2.966238 -0.641521 0.313060
C -0.922298 -1.895258 -0.190013
C -2.191281 -1.846401 0.363303
C -3.108611 1.747500 -0.415234
C -4.277346 -0.533146 0.865100
C -4.388510 1.820777 0.135782
C -4.972502 0.678470 0.776163
H 1.193603 -1.865611 -1.718521
H 1.101784 -0.150310 -2.202045
H 1.834407 0.555226 0.127475
H 1.947023 -1.157317 0.615415
H 3.643379 0.134424 -1.668857
H 3.896785 -1.515116 -0.945408
H -0.580235 1.237555 -1.379793
H -0.299194 -2.790803 -0.178087
H -2.594792 -2.744355 0.839184
H -2.660607 2.619203 -0.904034
H -4.731334 -1.399814 1.356239
H -4.956129 2.754431 0.082732
H -5.977827 0.761418 1.200762
H 6.766826 0.961395 -0.241587


